SCHEMBL5830722

SCHEMBL5830722

O=C1Cc2c(cccc2-c2cncc(C(=O)O)c2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.56
PIP4K2B P78356 1/20 0.56
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
GSK3B P49841 3/20 0.49
ABL1 P00519 1/20 0.47
BRD4 O60885 6/20 0.46
BRD2 P25440 2/20 0.46
TDP2 O95551 1/20 0.43
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNT2 O60583 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
GSK3A P49840 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6320773 0.84 TDP2 (0.55) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL5829804 0.79 CYP11B1 (0.55) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL5830094 0.78 PIP4K2A (0.56) PIP4K2APIP4K2BCCNB2CDK1CCNB1
Acetic Acid SCHEMBL5831403 0.75 PIP4K2A (0.48) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL5843496 0.75 JAK2 (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL152990 0.74 PIP4K2A (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL29899546 0.74 PIP4K2A (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL6328529 0.73 BRD4 (0.54) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL6320733 0.72 CRBN (0.65) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL16090379 0.72 BRD4 (0.52) PIP4K2APIP4K2BCCNB2CDK1CCNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053086-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. (US) 2006-05-30 US disclosed
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2004-05-20 US disclosed
US-6635640-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2003-10-21 US disclosed
EP-1296975-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2003-04-02 EP disclosed
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-12 US disclosed
WO-2002002551-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2002-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 PIP4K2A 266/4885PIP4K2B 270/4885CCNB2 285/4885
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 PIP4K2A 266/4885PIP4K2B 270/4885CCNB2 285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.